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Treffer Dokumente:

Erscheinungsdatum	Titel	Autor(en)
2022	Electronic structure of transition metal compounds with different nuclearities	Bamberger, Heiko
2022	Thermodynamics up to the melting point in a TaVCrW high entropy alloy : systematic ab initio study aided by machine learning potentials	Zhou, Ying; Srinivasan, Prashanth; Körmann, Fritz; Grabowski, Blazej; Smith, Roger; Goddard, Pooja; Duff, Andrew Ian
2022	Alumination of porous silica and quantitative investigation of factors influencing water and methanol adsorption	Li, Zheng
2022	Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping	Dsouza, Raynol; Huber, Liam; Grabowski, Blazej; Neugebauer, Jörg
2021	Electron ptychographic phase imaging of all-inorganic halide perovskites (AIHPs) using 4D STEM	Scheid, Anna
2022	High-entropy hydrides for fast and reversible hydrogen storage at room temperature : binding-energy engineering via first-principles calculations and experiments	Abbas, Mohammadi; Ikeda, Yuji; Edalati, Parisa; Mito, Masaki; Grabowski, Blazej; Edalati, Kaveh
2022	Entropy of kink pair formation on screw dislocations : an accelerated molecular dynamics study	Zotov, Nikolay; Grabowski, Blazej
2022	Ab initio surface free energies of tungsten with full account of thermal excitations	Forslund, Axel; Ruban, Andrei
2022	Interphases between alkali metals (Li, Na) and battery electrolytes : ion transport and growth behavior	Lim, Kyungmi
2022	Editorial - special issue “structure, activity, and function of protein methyltransferases”	Dhayalan, Arunkumar; Jeltsch, Albert